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adc-connect
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adcc
adcc: Seamlessly connect your program to ADC
https://adc-connect.org
GNU General Public License v3.0
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Remove old block style and other deprecations
#183
maxscheurer
opened
2 days ago
0
"Need at least 1 alpha and 1 beta electron" error possibly due to occupation array handling
#182
mmuelle6
opened
5 days ago
2
Remove old `AmplitudeVector` style
#181
maxscheurer
opened
1 month ago
0
Regenerate PySCF ddCOSMO/PCM testdata
#180
maxscheurer
closed
1 month ago
0
Refactor documentation build
#179
maxscheurer
opened
2 months ago
0
Regenerate PySCF PCM reference data
#178
maxscheurer
closed
1 month ago
0
Fix `setuptools`
#177
maxscheurer
closed
2 months ago
0
Davidson works when doubles folding in ADC(2)
#176
TianLin-228
opened
2 months ago
0
Solver convergence
#175
apapapostolou
opened
2 months ago
5
Increase inheritable objects
#174
BauerMarco
opened
2 months ago
6
adcc.get_n_threads() doesn't seem to work
#173
EvGeGr
opened
7 months ago
2
ImportError: cannot import name 'HartreeFockProvider' from 'libadcc' (unknown location)
#172
EvGeGr
closed
7 months ago
0
Symmetry of states
#171
Emilioerc
opened
7 months ago
0
Excited state rotatory strength
#170
dpadula85
closed
1 month ago
2
Additional operator integrals and selection of gauge origin
#169
frieschneider
opened
1 year ago
3
IP/EA-ADC up to 3rd order
#168
fedy9
opened
1 year ago
4
SciPy>=1.11 and PySCF
#167
maxscheurer
closed
1 month ago
2
Try psi4 on Conda CI
#166
maxscheurer
closed
1 year ago
3
Newer conda gcc
#165
maxscheurer
closed
1 year ago
1
RAM usage
#164
Sharlekin
opened
1 year ago
2
Remove NumPy upper version pin from `setup.py`/`environment_dev_linux.yml`
#163
maxscheurer
closed
1 year ago
1
Fix CI
#162
maxscheurer
closed
1 year ago
0
Add CodeQL workflow for GitHub code scanning
#161
lgtm-com[bot]
closed
1 year ago
3
Solvation effects via DDX
#160
mfherbst
closed
1 year ago
3
Future of reference data for tests
#159
maxscheurer
closed
1 year ago
5
Transition dipole moments for asymmetric operators
#158
apapapostolou
closed
1 year ago
6
Review cycle1
#157
BauerMarco
closed
1 year ago
0
Update list of authors
#156
apapapostolou
closed
2 years ago
0
Third-order ISR properties
#155
RMaier1
opened
2 years ago
0
implement isrmatrix_vector_product
#154
apapapostolou
closed
2 years ago
6
Full and approximate polaritonic ADC energies up to second order
#153
BauerMarco
opened
2 years ago
4
Avoid overly smart opteinsum
#152
mfherbst
closed
2 years ago
0
mkl not properly built with conda
#151
t-fransson
opened
2 years ago
0
How to change the location of scratch directory
#150
ggdhzdx
closed
2 years ago
2
Projectors and projected ADC matrix
#149
mfherbst
closed
2 years ago
0
Simplify README.txt
#148
susilehtola
closed
2 years ago
0
Higher dimensional Tensors
#147
jonasleitner
opened
2 years ago
6
Conda-forge badge and doc update
#146
maxscheurer
closed
2 years ago
0
Fix bug with pyscf module import
#145
maxscheurer
closed
2 years ago
10
Smoke Tests
#144
maxscheurer
closed
2 years ago
5
Remove our own conda and add Conda Python to CI tests
#143
maxscheurer
closed
2 years ago
3
Run example scripts on CI
#142
maxscheurer
opened
2 years ago
4
Make pandas and mpl dependencies for optional features
#141
maxscheurer
closed
2 years ago
6
matplotlib and pandas as optional dependencies
#140
maxscheurer
closed
2 years ago
1
Adapt sha256sums for older versions
#139
maxscheurer
closed
2 years ago
1
Conda-forge deployment
#138
maxscheurer
closed
1 month ago
17
Psi4 tests on CI
#137
maxscheurer
closed
1 year ago
2
Remove duplicate InvalidReference.py
#136
maxscheurer
closed
2 years ago
2
Eigensolvers for non-symmetric matrices
#135
maxscheurer
opened
2 years ago
8
Remove Python 3.6
#134
maxscheurer
closed
2 years ago
2
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